(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol

C14H13ClO2 — CID 7146658

IUPAC(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
SMILESCOc1cccc([C@@H](O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClO2/c1-17-13-4-2-3-11(9-13)14(16)10-5-7-12(15)8-6-10/h2-9,14,16H,1H3/t14-/m0/s1
InChIKeyCBQAUTIENGBUKR-AWEZNQCLSA-N
MW248.71 g/mol
LogP3.43
Rot. Bonds3

About (S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol

(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol (PubChem CID 7146658) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is (S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
PubChem CID7146658
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
SMILESCOc1cccc([C@@H](O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClO2/c1-17-13-4-2-3-11(9-13)14(16)10-5-7-12(15)8-6-10/h2-9,14,16H,1H3/t14-/m0/s1
InChIKeyCBQAUTIENGBUKR-AWEZNQCLSA-N
XLogP3.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
(3,4-dichlorophenyl)-(3-methoxyphenyl)methanol
CID 61083356
[4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol
CID 63893480
1-[bromo-(4-chlorophenyl)methyl]-3-methoxybenzene
CID 63437203
(3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
CID 60955788
(3-methoxyphenyl)-(4-propylphenyl)methanol
CID 61087387
(4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol
CID 106848346
(2-chloro-3-fluorophenyl)-(3-methoxyphenyl)methanol
CID 114976824
(2,6-difluorophenyl)-(3-methoxyphenyl)methanol
CID 63893352
2-(4-chlorophenyl)-2-(3-methoxyphenyl)ethanamine
CID 82023304
2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966129
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539

Frequently Asked Questions

What is the IUPAC name of (S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol?
The IUPAC name of (S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol (CID 7146658) is (S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol.
What is the SMILES notation for (S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol?
The canonical SMILES for (S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol is COc1cccc([C@@H](O)c2ccc(Cl)cc2)c1.
What is the InChIKey of (S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol?
The InChIKey is CBQAUTIENGBUKR-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-17-13-4-2-3-11(9-13)14(16)10-5-7-12(15)8-6-10/h2-9,14,16H,1H3/t14-/m0/s1.
What are the key properties of (S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol?
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol has a molecular weight of 248.71 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol is sourced from PubChem (CID 7146658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).